SCHEMBL23794489

SCHEMBL23794489

C[C@@H]1CN(c2ccc(C(=O)O)c(N)n2)C[C@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
BTK Q06187 2/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CA P42336 1/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
GAK O14976 1/20 0.38
AOC3 Q16853 1/20 0.38
PRKDC P78527 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23794485 0.85 KDM4E (0.48) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL16834788 0.76 RBP4 (0.51) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL18436949 0.76 RBP4 (0.51) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL20055871 0.74 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL16834258 0.74 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL19012699 0.74 KMT2A (0.43) KMT2AALDH1A1KDM4EGAANPSR1
SCHEMBL21997396 0.74 SMPD3 (0.45)
SCHEMBL21996954 0.74 SMPD3 (0.45)
SCHEMBL21997749 0.74 SMPD3 (0.45)
SCHEMBL17781107 0.74 SMPD3 (0.45)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
US-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
EP-3877387-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ViiV Healthcare UK (No.5) Limited (GB) 2021-09-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210395248-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H KMT2A 3417/4885ALDH1A1 2917/4885KDM4E 2058/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.